Octadecan-9-yl dihydrogen phosphate
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Basic information
- CAS
97553-81-6- Standard SMILES
CCCCCCCCCC(CCCCCCCC)OP(=O)(O)O- InChIKey
DHFFHWKMJUXMMB-UHFFFAOYSA-N- Molecular formula
- C18H39O4P
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.25859672
Overview
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Names & identifiers
- Preferred name
- Octadecan-9-yl dihydrogen phosphate
- IUPAC
- octadecan-9-yl dihydrogen phosphate
- English name
- Phosphoric acid, mono- and bis(branched and linear stearyl) esters
- Molecular formula
- C18H39O4P
- Molecular weight
- 350.473621
Names & synonyms
SCHEMBL170555097553-81-6OCTYLDECYL PHOSPHATEPhosphorsure, Mono-und Bis(verzweigte und lineare Stearyl)esterPhosphoric acid, mono- and bis(branched and linear stearyl) esters
Database identifiers
- CAS
97553-81-6- PubChem CID
- 22247045
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Cosmetics Ingredients Functions
- SURFACTANT - EMULSIFYING
- Cosmetic Ingredient Review (CIR)
- Phosphoric acid, mono- and bis(branched and linear stearyl) esters (97553-81-6)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H318
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
Related reactions
0 records
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Compound notes
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